CID 6450733

1-(5-bromo-2,4-dihydroxyphenyl)-5-phenyl-2,4-pentadien-1-one

Structural Information

Molecular Formula
C17H13BrO3
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC(=C(C=C2O)O)Br
InChI
InChI=1S/C17H13BrO3/c18-14-10-13(16(20)11-17(14)21)15(19)9-5-4-8-12-6-2-1-3-7-12/h1-11,20-21H/b8-4+,9-5+
InChIKey
QTMHOOOWZAVEDT-KBXRYBNXSA-N
Compound name
(2E,4E)-1-(5-bromo-2,4-dihydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.00482 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.01210 170.9
[M+Na]+ 366.99404 181.1
[M-H]- 342.99754 177.5
[M+NH4]+ 362.03864 186.7
[M+K]+ 382.96798 167.1
[M+H-H2O]+ 327.00208 169.9
[M+HCOO]- 389.00302 188.9
[M+CH3COO]- 403.01867 201.9
[M+Na-2H]- 364.97949 173.9
[M]+ 344.00427 188.4
[M]- 344.00537 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.